SCHEMBL3113188

SCHEMBL3113188

COCC(=O)NCc1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)cc1CNC(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 3/20 0.44
CNR1 P21554 2/20 0.43
CNR2 P34972 1/20 0.43
EPHX2 P34913 2/20 0.40
ROCK2 O75116 2/20 0.40
ROCK1 Q13464 2/20 0.40
NR1H4 Q96RI1 1/20 0.40
MAPT P10636 1/20 0.39
MALT1 Q9UDY8 1/20 0.39
RHOC P08134 1/20 0.39
RHOA P61586 1/20 0.39
GCGR P47871 1/20 0.38
DDR1 Q08345 3/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
NLRP1 Q9C000 1/20 0.38
STAT3 P40763 1/20 0.38
STAT1 P42224 1/20 0.38
DPP4 P27487 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3111640 0.90 CNR1 (0.44) PPARDCNR1CNR2EPHX2NR1H4
SCHEMBL3112367 0.89 CNR1 (0.42) PPARDCNR1CNR2EPHX2NR1H4
SCHEMBL3111589 0.86 ROCK2 (0.36) PPARDCNR1CNR2EPHX2ROCK2
SCHEMBL3110196 0.86 DPP4 (0.48) PPARDCNR1CNR2EPHX2NR1H4
SCHEMBL3107244 0.85 PPARD (0.44) PPARDCNR1CNR2EPHX2ROCK2
SCHEMBL3113355 0.85 PPARD (0.47) PPARDCNR1CNR2EPHX2ROCK2
SCHEMBL3111104 0.83 DDR1 (0.44) PPARDCNR1CNR2EPHX2ROCK2
SCHEMBL3107295 0.83 CNR1 (0.47) PPARDCNR1CNR2EPHX2NR1H4
SCHEMBL3104836 0.81 CNR1 (0.56) CNR1CNR2MAPT
SCHEMBL4913349 0.81 TRPV1 (0.52) PPARDEPHX2ROCK2ROCK1NR1H4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362045-B2 5,6-diaryl pyridines substituted in the 2- and 3-position, preparation thereof and therapeutic use thereof SANOFI (FR) 2013-01-29 US disclosed
US-20100256202-A1 5,6-DIARYL PYRIDINES SUBSTITUTED IN THE 2- AND 3-POSITION, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-10-07 US disclosed
EP-2209768-A1 5,6-DIARYL PYRIDINES SUBSTITUTED IN THE 2- AND 3-POSITION, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2010-07-28 EP disclosed
WO-2009087285-A1 5,6-DIARYL PYRIDINES SUBSTITUTED IN THE 2- AND 3-POSITION, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-07-16 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100256202-A1 5,6-DIARYL PYRIDINES SUBSTITUTED IN THE 2- AND 3-POSITION, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF ALK, ROS1, CYP11B2 PPARD 1034/4885CNR1 11/4885CNR2 4/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.